methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

C80H97N17O10 — CID 164949181

IUPACmethyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
SMILESCOC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CC(=O)NCc3ncccn3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(Cc4ccccc4)n3[C@@H]3CCNC[C@@H]3OC)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(Cc4cncc(OC(C)C)n4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C
InChIInChI=1S/C29H37N5O4.C26H32N4O3.C25H28N8O3/c1-17(2)38-27-16-30-15-21(31-27)14-26-32-28-23-10-9-18(3)33(29(36)37-5)24(23)11-12-25(28)34(26)22-8-6-7-20(13-22)19(4)35;1-17-9-10-19-20(29(17)26(31)33-3)11-12-22-25(19)28-24(15-18-7-5-4-6-8-18)30(22)21-13-14-27-16-23(21)32-2;1-17-5-6-18-19(33(17)25(35)36-2)7-8-20-24(18)30-22(9-14-31-13-4-12-29-31)32(20)16-23(34)28-15-21-26-10-3-11-27-21/h11-12,15-18,20,22H,6-10,13-14H2,1-5H3;4-8,11-12,17,21,23,27H,9-10,13-16H2,1-3H3;3-4,7-8,10-13,17H,5-6,9,14-16H2,1-2H3,(H,28,34)/t18-,20+,22+;17-,21+,23-;17-/m000/s1
InChIKeyAHFRUVRWPNCXKM-IJNDKWAQSA-N
MW1456.76 g/mol
LogP12.01
Rot. Bonds17

About methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 164949181) has the molecular formula C80H97N17O10 and a molecular weight of 1456.76 g/mol. Its IUPAC name is methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
PubChem CID164949181
Molecular FormulaC80H97N17O10
Molecular Weight1456.76 g/mol
Exact Mass1455.76
IUPAC Namemethyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
SMILESCOC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CC(=O)NCc3ncccn3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(Cc4ccccc4)n3[C@@H]3CCNC[C@@H]3OC)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(Cc4cncc(OC(C)C)n4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C
InChIInChI=1S/C29H37N5O4.C26H32N4O3.C25H28N8O3/c1-17(2)38-27-16-30-15-21(31-27)14-26-32-28-23-10-9-18(3)33(29(36)37-5)24(23)11-12-25(28)34(26)22-8-6-7-20(13-22)19(4)35;1-17-9-10-19-20(29(17)26(31)33-3)11-12-22-25(19)28-24(15-18-7-5-4-6-8-18)30(22)21-13-14-27-16-23(21)32-2;1-17-5-6-18-19(33(17)25(35)36-2)7-8-20-24(18)30-22(9-14-31-13-4-12-29-31)32(20)16-23(34)28-15-21-26-10-3-11-27-21/h11-12,15-18,20,22H,6-10,13-14H2,1-5H3;4-8,11-12,17,21,23,27H,9-10,13-16H2,1-3H3;3-4,7-8,10-13,17H,5-6,9,14-16H2,1-2H3,(H,28,34)/t18-,20+,22+;17-,21+,23-;17-/m000/s1
InChIKeyAHFRUVRWPNCXKM-IJNDKWAQSA-N
XLogP12.01
TPSA288.12 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001456.76
LogP ≤ 512.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate with MolForge

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Related Compounds

methyl (7S)-3-[2-[(3S)-3-acetamidopyrrolidin-1-yl]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[[5-(trifluoromethyl)pyridazin-3-yl]methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-2-(2-phenylethyl)-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 164949263
(8S,11S,15R)-10-[1-(2,4-difluorophenyl)-6-[4-(1,3-oxazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-22-fluoro-15-methoxy-13,18-dimethyl-7,10,13,17,19,26-hexazapentacyclo[15.6.1.12,6.18,11.020,24]hexacosa-1(24),2(26),3,5,18,20,22-heptaen-12-one
CID 176884103
(2'R,4'S,4'aS)-8'-(benzimidazol-1-yl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'R,4'S,4'aS)-2',4'-dimethyl-8'-(2-oxopyrrolidin-1-yl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'R,4'S,4'aS)-8'-imidazol-1-yl-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'R,4'S,4'aS)-8'-indazol-1-yl-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'R,4'S,4'aS)-8'-indol-1-yl-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
CID 157594448
methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one
CID 158148780
2,6-dimethylmorpholine;methyl (7S)-2-benzyl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-(2-oxoethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 158301657
pentakis(carbon dioxide);N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide
CID 158341562
2-[4-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-7-isocyano-2,3-dihydroquinoxalin-1-yl]-N,N-dimethylacetamide;tert-butyl N-[(3S,4S)-8-[3-[4-[2-(dimethylamino)-2-oxoethyl]-6-isocyano-2,3-dihydroquinoxalin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid;methyl 2-[6-isocyano-1-[6-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-4-yl]acetate
CID 160514293
1,6-dimethylbenzimidazole;3,5-dimethyl-1H-benzimidazol-2-one;3,6-dimethyl-1,4-dihydroquinazolin-2-one;(3R)-3,6-dimethyl-3,4-dihydro-1H-quinolin-2-one;3,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylindazole;1,6-dimethylindole;2,5-dimethyl-1,3-oxazole;3,5-dimethylpyrazolo[1,5-a]pyridine;bis(1-ethanimidoyl-5-methylpyridin-2-imine)
CID 161085368
methyl (7S)-3-(4-acetylcyclohexyl)-7-methyl-2-[(4-propan-2-ylpyrazol-1-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-[(1R)-1-piperidin-4-ylethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 164950248
cis-(1S,3R)-3-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[[(2R)-oxan-2-yl]methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-2-(2-pyrazol-1-ylethyl)-3-[2-(2-pyridin-2-ylethylamino)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 164950619
methyl (7S)-3-(4-acetylcyclohexyl)-7-methyl-2-[(6-propan-2-yloxy-2-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-7-methyl-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-(oxetan-3-ylamino)-2-oxoethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 164952315
methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[[6-(difluoromethoxy)-2-pyridinyl]methyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-(4-carbamoylcyclohexyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-(oxetan-3-ylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 164961425

Frequently Asked Questions

What is the IUPAC name of methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The IUPAC name of methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 164949181) is methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.
What is the SMILES notation for methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The canonical SMILES for methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is COC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CC(=O)NCc3ncccn3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(Cc4ccccc4)n3[C@@H]3CCNC[C@@H]3OC)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(Cc4cncc(OC(C)C)n4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.
What is the InChIKey of methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The InChIKey is AHFRUVRWPNCXKM-IJNDKWAQSA-N. The full InChI is InChI=1S/C29H37N5O4.C26H32N4O3.C25H28N8O3/c1-17(2)38-27-16-30-15-21(31-27)14-26-32-28-23-10-9-18(3)33(29(36)37-5)24(23)11-12-25(28)34(26)22-8-6-7-20(13-22)19(4)35;1-17-9-10-19-20(29(17)26(31)33-3)11-12-22-25(19)28-24(15-18-7-5-4-6-8-18)30(22)21-13-14-27-16-23(21)32-2;1-17-5-6-18-19(33(17)25(35)36-2)7-8-20-24(18)30-22(9-14-31-13-4-12-29-31)32(20)16-23(34)28-15-21-26-10-3-11-27-21/h11-12,15-18,20,22H,6-10,13-14H2,1-5H3;4-8,11-12,17,21,23,27H,9-10,13-16H2,1-3H3;3-4,7-8,10-13,17H,5-6,9,14-16H2,1-2H3,(H,28,34)/t18-,20+,22+;17-,21+,23-;17-/m000/s1.
What are the key properties of methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 1456.76 g/mol, XLogP of 12.01, 17 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-7-methyl-2-[(6-propan-2-yloxypyrazin-2-yl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-2-benzyl-3-[(3S,4R)-3-methoxypiperidin-4-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-7-methyl-3-[2-oxo-2-(pyrimidin-2-ylmethylamino)ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 164949181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).